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C70Oxides and Ozonides and the Mechanism of Ozonolysis on the Fullerene Surface. A Theoretical Study

artículo científico publicado en 2009

Density functional theory based molecular dynamics simulations of C70O3 doped with light molecules

Describing the chemical bonding in C70 and C70O3 – A quantum chemical topology study

article by Andrzej Bil et al published March 2014 in Chemical Physics

Dimethylalkoxygallanes: Monomeric versus Dimeric Gas-Phase Structures

artículo científico publicado en 2012

Donor-Acceptor Complexes between Ammonia and Sulfur Trioxide: An FTIR and Computational Study

artículo científico publicado en 2015

Electron transfer modifies chemical properties of C70 fullerene surface: An ab initio molecular dynamics study of C70O3 molozonides doped with light atoms

Gas-phase structures of dithietane derivatives, including an electron diffraction study of 1,3-dithietane 1,1,3,3-tetraoxide

Hybrid QM/QM simulations of photochemical reactions in the molecular crystal N-salicylidene-2-chloroaniline

artículo científico publicado en 2013

Hydrogen detachment driven by a repulsive 1πσ* state - an electron localization function study of 3-amino-1,2,4-triazole

artículo científico publicado en 2018

Isomers of the acetic acid-water complex trapped in an argon matrix

artículo científico publicado en 2014

Mechanism Underlying the Nucleobase-Distinguishing Ability of Benzopyridopyrimidine (BPP).

artículo científico publicado en 2017

Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane

scientific article published on 22 April 2019

Modifying the Fullerene Surface Using Endohedral Noble Gas Atoms: Density Functional Theory Based Molecular Dynamics Study of C70O3

artículo científico publicado el 26 de marzo de 2012

OH-induced oxidative cleavage of dimethyl disulfide in the presence of NO.

artículo científico publicado en 2013

On three-electron bonds and hydrogen bonds in the open-shell complexes [H2X2]+ for X = F, Cl, and Br

scientific article published on 24 March 2007

Organic-inorganic compounds with strong nonlinear optical properties based on 2,4,6-trimethylpyridinium and tetrahedral BF4−networks

scholarly article in Physical Review B, vol. 83 no. 14, April 2011

Phase stability and dynamics of hybrid organic–inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach

article

Photo-induced hydrogen exchange reaction between methanol and glyoxal: formation of hydroxyketene

artículo científico publicado en 2008

Photochemistry of formaldoxime−nitrous acid complexes in an argon matrix: identification of formaldoxime nitrite

artículo científico publicado en 2009

Photoinduced Double Proton Transfer in the Glyoxal-Methanol Complex Revisited: The Role of the Excited States

scientific article published on 10 April 2020

The hydroperoxy radical as a hydrogen bond acceptor. HOO-HCl complexes--Ab initio study

artículo científico publicado en 2006

The mechanism of the ozonolysis on the surface of C70 fullerene: the electron localizability indicator study

artículo científico publicado en 2020